CID 71305717

1373029-39-0

Structural Information

Molecular Formula
C12H19NO4S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C(CCS2)C(=O)O
InChI
InChI=1S/C12H19NO4S/c1-11(2,3)17-10(16)13-6-12(7-13)8(9(14)15)4-5-18-12/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
DUYKPSAHFAIBRQ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-5-thia-2-azaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1035 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11078 161.0
[M+Na]+ 296.09272 164.1
[M-H]- 272.09622 163.2
[M+NH4]+ 291.13732 172.9
[M+K]+ 312.06666 166.1
[M+H-H2O]+ 256.10076 151.3
[M+HCOO]- 318.10170 170.1
[M+CH3COO]- 332.11735 193.7
[M+Na-2H]- 294.07817 159.9
[M]+ 273.10295 170.2
[M]- 273.10405 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.